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N1-Hydroxy-roquefortine C

MNXM147519 is deprecated and replaced by MNXM1100782
PropertiesImage
MNX_IDMNXM1100782 Image of MNXM1100782
referencechebi:181953
formulaC22H23N5O3
global charge0
mol weight405.458
InChIKeyNNCYWYKIMLRIRQ-OQLLNIDSSA-N
InChIInChI=1S/C22H23N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17,20,30H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+
SMILESC=CC(C)(C)C12CC3C(=O)N/C(=C/C4=CN=CN4)C(=O)N3C1N(O)C1=C2C=CC=C1
MNX internals
InChI (mnx)InChI=1/C22H23N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17,20,30H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+/t17?,20?,22? Image of MNXM1100782
SMILES (mnx)[CH2:1]=[CH:4][C:21]([CH3:2])([CH3:3])[C:22]12[CH2:10][CH:17]3[C:18]([OH:28])=[N:25]/[C:15](=[CH:9]/[C:13]4=[CH:11][N:23]=[CH:12][NH:24]4)[C:19](=[O:29])[N:26]3[CH:20]1[N:27]([OH:30])[C:16]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:14]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181953
chebi:181953
NNCYWYKIMLRIRQ-OQLLNIDSSA-N 		N1-Hydroxy-roquefortine C
(4E)-16-hydroxy-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

kegg.compound:C22169
keggC:C22169
NNCYWYKIMLRIRQ-OQLLNIDSSA-N 		N1-Hydroxy-roquefortine C

metacyc.compound:CPD-17392
metacycM:CPD-17392
seed.compound:cpd34613
seedM:cpd34613
NNCYWYKIMLRIRQ-OQLLNIDSSA-N 		N1-hydroxy-roquefortine C
roquefortine C N1-hydroxyamine

keggC:M_C22169
seedM:M_cpd34613 		secondary/obsolete/fantasy identifier